Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session T00: Poster Session III (1pm-4pm PST)
1:00 PM,
Thursday, March 9, 2023
Room: Exhibit Hall (Forum Ballroom)
Sponsoring
Unit:
APS
Abstract: T00.00327 : PYSAGES: Funnel restraints for Ligand-Receptor enhanced sampling calculations*
Presenter:
Gustavo R Perez Lemus
(University of Chicago)
Authors:
Gustavo R Perez Lemus
(University of Chicago)
Pablo Zubieta
(Pritzker School of Molecular Engineering)
Juan J De Pablo
(University of Chicago)
Cintia A Menendez
(University of Chicago)
*This work is supported by the Department of Energy, Basic Energy Sciences, Materials Science and EngineeringDivision, through the Midwest Integrated Center for Computational Materials (MICCoM).
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